64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=451.20509574563533 stress="-0.005139384682117987 -0.0010861838242334193 -0.0006972228429949903 -0.0010861838242334193 -0.004806160855173811 -0.0016312299238217026 -0.0006972228429949903 -0.0016312299238217026 -0.0035841560301798176" free_energy=451.20509574563533 pbc="F F F" Si 34.99857529 34.81034565 35.68446085 -47.95296938 -73.94447952 -56.99009715 Si 35.76373610 36.04049425 36.63824798 53.69275213 72.72256680 56.13912886 Si 37.01838463 37.94385175 34.67234902 -0.76504302 0.75309884 2.99418824 Si 39.27148735 38.93361922 36.41048550 -25.06031309 -8.10182788 8.84038844 Si 37.71220916 35.01877087 37.78236311 -40.20048019 -61.73456713 -16.62742323 Si 38.67594951 36.53546301 38.06041263 -27.00217631 -19.50555766 18.54099358 Si 34.62198046 37.48236688 38.01552064 -5.03253538 -1.58336349 -1.79127646 Si 36.31323966 39.12617229 38.29997819 -131.54439605 -172.52015943 100.77478195 Si 40.41666408 34.99478259 34.99848570 -4.18105822 -9.69643219 -13.03297695 Si 41.12624165 35.92779877 36.66590142 -182.68659672 111.61180182 -98.41340979 Si 42.09889869 37.29646160 34.55839541 0.36825719 0.30849336 4.34331348 Si 43.68960313 38.75176653 36.25356502 70.73353215 -67.46732910 -70.62277313 Si 42.32150569 35.33973906 37.38738538 188.12199945 -96.93843831 113.16389954 Si 44.00749795 36.64160427 38.47712836 40.38984201 -36.66032262 -42.92880326 Si 39.85564507 37.79636490 37.99864897 66.65521302 44.39360480 -13.78185875 Si 41.31164877 39.15016441 38.26678822 -57.88647135 -26.49204859 72.07229614 Si 35.21634314 40.39614785 35.11958922 -157.13524093 -247.38724548 -186.45390861 Si 35.83381322 41.35428075 35.84404063 171.84683506 241.70864525 195.14248075 Si 37.50676287 42.81139181 35.14389968 -28.62505612 -38.18623980 -36.18199260 Si 38.42423394 44.06285318 36.22310380 27.06735668 36.25148532 32.18140857 Si 37.17963894 40.23713674 37.74475401 136.92646478 176.33341974 -105.12040202 Si 39.08079873 41.55219231 39.18940021 43.53692534 -30.45929341 -43.79369469 Si 35.25179872 41.73534370 37.95831218 -10.65727404 -0.82215725 6.49631629 Si 35.47974606 43.85136460 38.77421738 1.90584230 4.62929431 1.89866179 Si 39.95900666 40.10304181 34.90470786 14.03186177 15.98715843 -20.48148389 Si 41.27180290 41.30366570 36.62933909 95.50445333 -39.69578142 -21.79972433 Si 42.40609630 42.07680546 34.71877235 -3.75589691 -4.65167139 -4.29765071 Si 43.36108526 43.55621843 36.13077906 3.64249997 5.48681860 5.23708239 Si 42.60319257 39.54895089 37.25977645 9.91834091 105.07032506 8.42451983 Si 43.73807119 41.27528029 38.96169228 16.63645264 -29.53039613 -23.11436277 Si 39.71169665 42.03419113 36.84573432 -94.65463324 41.44212264 20.02236758 Si 41.61616446 43.68708951 39.22593449 -184.22066605 167.08049304 -85.91105674 Si 35.47856098 34.64543459 40.40322609 -27.03941621 -72.58885504 -77.24429850 Si 35.86757739 35.77690651 41.60442504 -21.77026493 84.78305298 33.95853167 Si 37.49837127 37.49257765 39.36713562 -12.62827749 9.90508606 12.13872289 Si 38.28778120 38.96896196 41.43447339 -0.14326017 -17.68391789 -3.00699813 Si 37.31750879 35.38757305 42.51006252 57.71483942 -29.30332176 30.51720429 Si 38.43479364 36.75572062 43.73172995 0.29772107 7.94370159 6.76961591 Si 34.83496952 37.22140169 42.60038237 -18.36225833 4.22401704 -0.99241941 Si 36.21314705 38.48774242 43.66766273 4.84763264 0.27499233 9.81475128 Si 40.36227150 34.97303345 39.70472001 -4.54724928 -2.91414527 -11.71303207 Si 41.28877014 35.61795512 41.59720809 1.67992065 8.60781569 8.59110741 Si 42.86566271 37.62419255 39.51201737 -46.53090595 40.48973617 41.39933062 Si 43.91234372 39.05057876 41.27439092 0.61513127 -2.27957823 -2.41708419 Si 42.80121389 34.55008776 42.93734493 -54.43767992 -62.48479637 -19.99927456 Si 43.97181023 35.82857704 43.37365610 56.30602297 61.18887326 21.01385754 Si 40.01106593 37.86536140 42.61747769 -49.27064355 -53.76511226 -70.25146556 Si 40.84877731 38.73462112 43.83439285 6.01435749 23.70932422 98.31883533 Si 35.41208961 40.19367879 40.18321398 -105.26827058 -111.16119889 -127.02428050 Si 36.27168288 41.06447667 41.15331910 102.27767425 110.69423564 128.07287444 Si 37.81795086 42.16893279 40.35423928 -48.36325815 19.50460278 27.74425607 Si 39.06829930 43.71145016 41.00845318 8.89981956 11.02546737 9.66268557 Si 37.29315619 40.10161642 42.78009138 -38.06714095 -2.97333752 -28.91323333 Si 38.50877592 40.48268168 44.16903908 35.53616970 13.05517112 33.26288579 Si 34.77594250 42.28314553 42.32360647 0.31089764 -1.34803645 -2.35175042 Si 35.81399780 43.52953864 44.07475427 0.92030110 0.92869635 1.33648620 Si 39.96220529 39.29738132 40.13291135 8.51862459 12.70994663 -0.42756997 Si 41.29615731 41.03111722 41.08398772 32.50424239 -26.84288392 -39.90381393 Si 42.65934357 42.71792203 39.66495949 162.32982372 -148.20935373 108.19066767 Si 44.05649546 43.30810928 41.28689596 -0.18481859 1.65260527 2.70287991 Si 42.08251267 39.57574332 42.79350643 42.48386790 32.61383534 -31.76035924 Si 44.10131922 42.02206951 44.14970421 -1.24599229 0.33590077 -1.89750632 Si 40.37831209 41.96000027 42.41231439 -39.68590148 20.44046344 29.81830709 Si 40.87606541 43.38425147 43.94301369 6.67046977 9.06499606 9.66115410